Hello lammps users,
I create a topological lammps input file of silica quartz (001) surface,
but when run the simulation, send the following message in the log file:
WARNING: Inconsistent image flags (../domain.cpp:678), I read the another
list archives related to this problem, I worry with the code calculated
the bond or angle or dihedral energy and force with the incorrect distance
and influence in the compute of another properties. I don't know what is
wrong because all atoms inside the box simulation and was corroborated
with the file created with the write_data lammps.top where the image flags
of the all atoms is zero. Any ideas to fix this problem.
in.quartz (997 Bytes)
quartz_hydrophobic_topol.data (1.41 MB)
log.lammps (5.89 KB)
From the manual (Section_errors.html):
Inconsistent image flags
The image flags for a pair on bonded atoms appear to be inconsistent.
Inconsistent means that when the coordinates of the two atoms are
unwrapped using the image flags, the two atoms are far apart.
Specifically they are further apart than half a periodic box length.
Or they are more than a box length apart in a non-periodic dimension.
This is usually due to the initial data file not having correct image
flags for the 2 atoms in a bond that straddles a periodic boundary.
They should be different by 1 in that case. This is a warning because
inconsistent image flags will not cause problems for dynamics or most
LAMMPS simulations. However they can cause problems when such atoms
are used with the fix rigid or replicate commands.
If you have an infinite periodic crystal with bonds then it is impossible
to have fully consistent image flags. However, as the above paragraph
states, it doesn’t matter (unless you try to replicate or use fix rigid),
so you can ignore the warning.